title: The crucial role of a Ni(I) intermediate in Ni-catalyzed carboxylation of aryl chloride with CO2: a theoretical study.
abstract: In Ni(0)-catalyzed carboxylation reaction of aryl chloride with CO2, the formation of a Ni(I) species is crucial, because the CO2 insertion into the Ni(I)-Ph bond easily occurs but that into the Ni(II)-Ph bond cannot. This is a key point of this successful carboxylation reaction.
authors.affiliation: Fukui Institute for Fundamental Chemistry, Kyoto University, Nishihiraki-cho, Takano, Sakyo-ku 606-8103, Japan. sakaki.shigeyoshi.47e@st.kyoto-u.ac.jp.
authors.forename: Fareed Bhasha
authors.initials: FB
authors.lastname: Sayyed
authors.forename: Yasushi
authors.initials: Y
authors.lastname: Tsuji
authors.forename: Shigeyoshi
authors.initials: S
authors.lastname: Sakaki